N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide

C26H38N2O2 — CID 175633706

IUPACN-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
SMILESCOCCC1C2CC3(C(=O)NC4CCC(N)CC4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C26H38N2O2/c1-30-12-11-23-18-13-25(20-5-3-2-4-6-20)14-19(23)16-26(15-18,17-25)24(29)28-22-9-7-21(27)8-10-22/h2-6,18-19,21-23H,7-17,27H2,1H3,(H,28,29)
InChIKeyYXOWUHVWHZCGDF-UHFFFAOYSA-N
MW410.60 g/mol
LogP4.17
Rot. Bonds6

About N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide

N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide (PubChem CID 175633706) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
PubChem CID175633706
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC NameN-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide
SMILESCOCCC1C2CC3(C(=O)NC4CCC(N)CC4)CC1CC(c1ccccc1)(C2)C3
InChIInChI=1S/C26H38N2O2/c1-30-12-11-23-18-13-25(20-5-3-2-4-6-20)14-19(23)16-26(15-18,17-25)24(29)28-22-9-7-21(27)8-10-22/h2-6,18-19,21-23H,7-17,27H2,1H3,(H,28,29)
InChIKeyYXOWUHVWHZCGDF-UHFFFAOYSA-N
XLogP4.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-N-(4-aminocyclohexyl)-6-ethyl-3-phenyladamantane-1-carboxamide
CID 162754679
N-[4-(aminomethyl)cyclohexyl]-6-(3,3-difluoropropyl)-3-phenyladamantane-1-carboxamide
CID 175630052
N-[4-(aminomethyl)cyclohexyl]-6-benzyl-3-phenyladamantane-1-carboxamide
CID 162525714
N-[4-(aminomethyl)cyclohexyl]-6-[(ethoxyamino)methyl]-3-phenyladamantane-1-carboxamide
CID 175633191
N-(4-aminocyclohexyl)-6-(3-chloropropyl)-3-phenyladamantane-1-carbothioamide
CID 171762346
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[6-(2-methoxyethyl)-3-phenyl-1-adamantyl]methanone
CID 162525908
N-(4-aminocyclohexyl)-3-phenyl-6-(3,3,3-trifluoropropylidene)adamantane-1-carboxamide
CID 162525365
N-(4-aminocyclohexyl)-3-phenyl-1'-phenylmethoxyspiro[adamantane-6,2'-aziridine]-1-carboxamide
CID 175626949
N-(4-aminocyclohexyl)-3-methyl-5-phenyladamantane-1-carboxamide
CID 152871733
N-[4-(aminomethyl)cyclohexyl]-6-(chloromethyl)-3-phenyladamantane-1-carbothioamide
CID 162525268
N-(4-aminocyclohexyl)-1-phenyl-6-propyltricyclo[3.3.1.03,7]nonane-3-carbothioamide
CID 166908976
methyl 7-[(4-aminocyclohexyl)carbamoyl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxylate
CID 130269040

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide (CID 175633706) is N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide is COCCC1C2CC3(C(=O)NC4CCC(N)CC4)CC1CC(c1ccccc1)(C2)C3.
What is the InChIKey of N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
The InChIKey is YXOWUHVWHZCGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-30-12-11-23-18-13-25(20-5-3-2-4-6-20)14-19(23)16-26(15-18,17-25)24(29)28-22-9-7-21(27)8-10-22/h2-6,18-19,21-23H,7-17,27H2,1H3,(H,28,29).
What are the key properties of N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide?
N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide has a molecular weight of 410.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-(2-methoxyethyl)-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 175633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).